@MOLECULE gyrinal 35 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9435 -2.8608 0.7882 O.2 1 UNL1111111111 -0.4188 2 O -0.4202 2.5363 0.4328 O.2 1 UNL1111111111 -0.4750 3 O -4.4397 0.4824 -1.1343 O.2 1 UNL1111111111 -0.4429 4 C 3.6248 -0.0039 0.6748 C.3 1 UNL1111111111 -0.3027 5 C 3.2045 -1.3648 0.0820 C.3 1 UNL1111111111 -0.2617 6 C 2.7971 1.1032 0.0865 C.2 1 UNL1111111111 0.1588 7 C 1.8073 -1.6886 0.4974 C.2 1 UNL1111111111 -0.1378 8 C 0.7430 -1.6092 -0.3087 C.2 1 UNL1111111111 -0.1058 9 C 3.3263 1.6983 -1.1724 C.3 1 UNL1111111111 -0.4836 10 C 1.6588 1.4932 0.6810 C.2 1 UNL1111111111 -0.3983 11 C 0.7746 -1.2792 -1.7580 C.3 1 UNL1111111111 -0.4378 12 C -0.6174 -1.8267 0.2592 C.2 1 UNL1111111111 0.4516 13 C -1.5213 -0.6592 0.1516 C.2 1 UNL1111111111 -0.2579 14 C 0.7630 2.5365 0.1724 C.2 1 UNL1111111111 0.3754 15 C -2.8381 -0.7965 0.0029 C.2 1 UNL1111111111 -0.1773 16 C -3.7310 0.3839 -0.1632 C.2 1 UNL1111111111 0.4872 17 C -3.6935 1.4114 0.9200 C.3 1 UNL1111111111 -0.5510 18 H 3.5231 -0.0317 1.7798 H 1 UNL1111111111 0.1603 19 H 4.7034 0.1667 0.4867 H 1 UNL1111111111 0.1508 20 H 3.3171 -1.3518 -1.0200 H 1 UNL1111111111 0.1495 21 H 3.8999 -2.1547 0.4364 H 1 UNL1111111111 0.1526 22 H 1.6987 -1.9736 1.5463 H 1 UNL1111111111 0.1573 23 H 2.5484 2.1471 -1.8044 H 1 UNL1111111111 0.1628 24 H 4.0602 2.4901 -0.9499 H 1 UNL1111111111 0.1708 25 H 3.8447 0.9545 -1.7963 H 1 UNL1111111111 0.1660 26 H 1.3065 1.0103 1.5960 H 1 UNL1111111111 0.1859 27 H 1.3905 -0.3913 -1.9628 H 1 UNL1111111111 0.1554 28 H 1.1939 -2.1141 -2.3416 H 1 UNL1111111111 0.1642 29 H -0.2245 -1.0734 -2.1723 H 1 UNL1111111111 0.1645 30 H -1.0272 0.3173 0.1990 H 1 UNL1111111111 0.1906 31 H 1.1830 3.3386 -0.4496 H 1 UNL1111111111 0.1069 32 H -3.3376 -1.7679 -0.0392 H 1 UNL1111111111 0.1845 33 H -3.7407 0.9664 1.9217 H 1 UNL1111111111 0.1748 34 H -4.5170 2.1334 0.8265 H 1 UNL1111111111 0.1782 35 H -2.7523 1.9919 0.8710 H 1 UNL1111111111 0.2023 @BOND 1 1 12 2 2 2 14 2 3 3 16 2 4 4 5 1 5 4 6 1 6 4 18 1 7 4 19 1 8 5 7 1 9 5 20 1 10 5 21 1 11 6 9 1 12 6 10 2 13 7 8 2 14 7 22 1 15 8 11 1 16 8 12 1 17 9 23 1 18 9 24 1 19 9 25 1 20 10 14 1 21 10 26 1 22 11 27 1 23 11 28 1 24 11 29 1 25 12 13 1 26 13 15 2 27 13 30 1 28 14 31 1 29 15 16 1 30 15 32 1 31 16 17 1 32 17 33 1 33 17 34 1 34 17 35 1